3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile

C17H16N6 — CID 133289685

IUPAC3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Nc2ccn(Cc3ccccc3)n2)c(C#N)c1C
InChIInChI=1S/C17H16N6/c1-12-13(2)20-21-17(15(12)10-18)19-16-8-9-23(22-16)11-14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H,19,21,22)
InChIKeyCHNHQTQQBLJUAJ-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.95
Rot. Bonds4

About 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133289685) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133289685
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Nc2ccn(Cc3ccccc3)n2)c(C#N)c1C
InChIInChI=1S/C17H16N6/c1-12-13(2)20-21-17(15(12)10-18)19-16-8-9-23(22-16)11-14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H,19,21,22)
InChIKeyCHNHQTQQBLJUAJ-UHFFFAOYSA-N
XLogP2.95
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 133289685) is 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(Nc2ccn(Cc3ccccc3)n2)c(C#N)c1C.
What is the InChIKey of 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is CHNHQTQQBLJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-12-13(2)20-21-17(15(12)10-18)19-16-8-9-23(22-16)11-14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H,19,21,22).
What are the key properties of 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 304.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpyrazol-3-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133289685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).